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189287-71-6 | Propanedioic acid, 2-[4-(bromomethyl)phenyl]-2-methyl-, 1,3-diethyl ester
CAS No: 189287-71-6 Catalog No: AG002I6U MDL No:
Product Description
Catalog Number:
AG002I6U
Chemical Name:
Propanedioic acid, 2-[4-(bromomethyl)phenyl]-2-methyl-, 1,3-diethyl ester
CAS Number:
189287-71-6
Molecular Formula:
C15H19BrO4
Molecular Weight:
343.2130
IUPAC Name:
diethyl 2-[[4-(bromomethyl)phenyl]methyl]propanedioate
InChI:
InChI=1S/C15H19BrO4/c1-3-19-14(17)13(15(18)20-4-2)9-11-5-7-12(10-16)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3
InChI Key:
QKFRJJLAYUVDEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)CBr)(C(=O)OCC)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.217g/mol
Monoisotopic Mass:
342.047g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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